N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide

C13H22F3NO6S2 — CID 58240429

IUPACN-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(CCC1(C2CCCCC2)OCCO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H22F3NO6S2/c1-24(18,19)17(25(20,21)13(14,15)16)8-7-12(22-9-10-23-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyVAUVIJWUABEYBV-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.81
Rot. Bonds6

About N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide

N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide (PubChem CID 58240429) has the molecular formula C13H22F3NO6S2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
PubChem CID58240429
Molecular FormulaC13H22F3NO6S2
Molecular Weight409.45 g/mol
Exact Mass409.08
IUPAC NameN-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(CCC1(C2CCCCC2)OCCO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H22F3NO6S2/c1-24(18,19)17(25(20,21)13(14,15)16)8-7-12(22-9-10-23-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyVAUVIJWUABEYBV-UHFFFAOYSA-N
XLogP1.81
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide (CID 58240429) is N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(CCC1(C2CCCCC2)OCCO1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide?
The InChIKey is VAUVIJWUABEYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO6S2/c1-24(18,19)17(25(20,21)13(14,15)16)8-7-12(22-9-10-23-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3.
What are the key properties of N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide?
N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide has a molecular weight of 409.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclohexyl-1,3-dioxolan-2-yl)ethyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 58240429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).